SCHEMBL4340369

SCHEMBL4340369

Cc1ccc([PH](=O)O)cc1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
SRC P12931 1/20 0.39
ALOX15 P16050 2/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
PTGS1 P23219 1/20 0.37
RXRG P48443 1/20 0.37
PTGS2 P35354 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
AKR1B1 P15121 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GLA P06280 1/20 0.35
STING1 Q86WV6 1/20 0.35
CLIC1 O00299 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL37138 0.76 SRC (0.58) SMN1; SMN2SRCALOX15PTGS1PTGS2
SCHEMBL29375293 0.76 SRC (0.58) SMN1; SMN2SRCALOX15PTGS1PTGS2
Hydrochloric Acid SCHEMBL2531969 0.74 SRC (0.56) SMN1; SMN2SRCALOX15PTGS1PTGS2
SCHEMBL28007584 0.74 SRC (0.56) SMN1; SMN2SRCALOX15PTGS1PTGS2
SCHEMBL28408749 0.73 PRSS1 (0.40) SMN1; SMN2ALOX15MAPTTSHRHSD17B10
SCHEMBL2305981 0.73 SRC (0.46) SMN1; SMN2SRCALOX15RXRARXRB
SCHEMBL2382916 0.73 MRGPRX4 (0.49) SMN1; SMN2SRCALOX15TSHRHSD17B10
SCHEMBL2351513 0.73 AURKA (0.45) SMN1; SMN2SRCALOX15RXRARXRB
SCHEMBL2448894 0.73 TSHR (0.50) SMN1; SMN2SRCALOX15RXRARXRB
SCHEMBL3163728 0.73 SMN1; SMN2 (0.42) SMN1; SMN2SRCALOX15RXRARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090297752-A1 POLYESTER RESIN, POLYESTER RESIN COMPOSITION THEREFROM AND USE THEREOF TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-12-03 US disclosed